SCHEMBL11264117

SCHEMBL11264117

CCCCn1c(C)c(-c2ccc(F)cc2)c2cc(OC(C)(C)C(=O)OCC)ccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.46
HSD17B10 Q99714 1/20 0.46
PPARA Q07869 3/20 0.44
KMT2A Q03164 1/20 0.44
PPARG P37231 1/20 0.44
ABCB11 O95342 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41
HTR2A P28223 1/20 0.41
PMP22 Q01453 1/20 0.41
CNR2 P34972 3/20 0.41
PLA2G2A P14555 3/20 0.41
FBP1 P09467 1/20 0.41
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.39
PTGDR2 Q9Y5Y4 3/20 0.38
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38
APH1B Q8WW43 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11263636 0.96 PPARA (0.47) KDM4EHSD17B10PPARAKMT2APPARG
SCHEMBL11265169 0.90 KDM4E (0.50) KDM4EHSD17B10PPARAKMT2APPARG
SCHEMBL11259439 0.90 KDM4E (0.45) KDM4EHSD17B10PPARAKMT2APPARG
SCHEMBL11249945 0.88 PPARA (0.52) KDM4EHSD17B10PPARAKMT2APPARG
SCHEMBL11259223 0.88 PPARA (0.52) KDM4EHSD17B10PPARAKMT2APPARG
SCHEMBL11267723 0.87 PPARA (0.45) HSD17B10PPARAKMT2APPARGABCB11
SCHEMBL11269239 0.86 KMT2A (0.47) KDM4EHSD17B10PPARAKMT2APPARG
SCHEMBL11256466 0.85 PPARA (0.56) KDM4EHSD17B10PPARAKMT2APPARG
SCHEMBL11249243 0.83 PPARA (0.42) KDM4EHSD17B10PPARAKMT2APPARG
SCHEMBL11263047 0.80 PPARA (0.46) KDM4EHSD17B10PPARAKMT2APPARG

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4343811-A ATHEROSCLEROSIS BOEHRINGER INGELHEIM GMBH (DE) 1982-08-10 US disclosed